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  2. 137496-71-0
(S)-Tert-butyl 2-methylpyrrolidine-1-carboxylate | 137496-71-0

Product name:(S)-Tert-butyl 2-methylpyrrolidine-1-carboxylate

CAS No:137496-71-0
MF:C10H19NO2
MW:185.2634
MDL:MFCD06858469
CID:64480
PubChem ID:9794078
Names and Identifiers
  • (S)-tert-Butyl 2-methylpyrrolidine-1-carboxylate
  • (S)-1-BOC-2-METHYLPYRROLIDINE
  • (S)-N-Boc-2-Methylpyrrolidine
  • 2-methylpyrrolidine-1-carboxylic acid tert-butyl ester
  • (S)-1-BOC-2-METHYL-PYRROLIDINE
  • tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate
  • PPUYUEPZGGATCN-QMMMGPOBSA-N
  • 6588AA
  • FCH4012769
  • AB30509
  • AB0075452
  • AX8048455
  • 496B710
  • I12-0
  • SCHEMBL357042
  • (S)-tert-butyl 2-methylpyrrolidine-1-carboxylate
  • DTXSID10430758
  • 137496-71-0
  • (S)-N-Boc-2-methylpyrrolidine
  • AKOS015897787
  • (S)-tert-butyl 2-methylpyrrolidine-1-carboxylate
  • (S)-1-BOC-2-METHYL-PYRROLIDINE
  • 1-Pyrrolidinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (S)-
  • MFCD06858469
  • (S)-N-Boc-2-methylpyrrolidine, 95%
  • 1-Pyrrolidinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester, (2S)-
  • (S)-1-Boc-2-methylpyrrolidine
  • (S)-tert-Butyl2-methylpyrrolidine-1-carboxylate
  • J-007030
  • DS-16257
  • 2-(S)-methyl-pyrrolidine-1-carboxylic tert-butyl Ester
  • MDL:MFCD06858469
  • InChIKey:PPUYUEPZGGATCN-QMMMGPOBSA-N
  • Inchi:1S/C10H19NO2/c1-8-6-5-7-11(8)9(12)13-10(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
  • SMILES:O(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(N1C([H])([H])C([H])([H])C([H])([H])[C@]1([H])C([H])([H])[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 185.14200
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 185.142
  • Heavy Atom Count: 13
  • Complexity: 196
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2
  • Topological Polar Surface Area: 29.5

Experimental Properties

  • LogP: 2.34370
  • PSA: 29.54000
  • Refractive Index: 1.444
  • Boiling Point: 233.962 °C at 760 mmHg
  • Flash Point: 82 ºC
  • Color/Form: Colorless to Yellow Liquid
  • Density: 0.962
Security Information
  • Safety Term:S26-39-45-61
  • Safety Instruction:S26-S39-S45-S61
  • Risk Phrases:R25; R37/38; R41; R50
  • ป้ายอันตราย: T T N N
  • Hazardous Material transportation number:UN 2810
  • Hazard Statement:H301;H315;H318;H335;H400
  • Warning Statement:P261;P273;P280;P301+P310;P305+P351+P338
  • Storage Condition:Room temperature
  • Hazard Category Code:R25;R37/38;R41;R50
  • Signal Word:Danger
Customs Data
  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Literature
  • 1. Improvement of (S)-selective imine reductase GF3546 for the synthesis of chiral cyclic amines Yuta Fukawa,Keita Yoshida,Sayaka Degura,Koichi Mitsukura,Toyokazu Yoshida Chem. Commun. 2022 58 13222
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